2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione

C21H20N4O3 — CID 3087637

IUPAC2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2n1CN1CCOCC1
InChIInChI=1S/C21H20N4O3/c26-20-15-5-1-2-6-16(15)21(27)24(20)13-19-22-17-7-3-4-8-18(17)25(19)14-23-9-11-28-12-10-23/h1-8H,9-14H2
InChIKeyGXWOBEQLWGAAFU-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.12
Rot. Bonds4

About 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione

2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione (PubChem CID 3087637) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione
PubChem CID3087637
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2n1CN1CCOCC1
InChIInChI=1S/C21H20N4O3/c26-20-15-5-1-2-6-16(15)21(27)24(20)13-19-22-17-7-3-4-8-18(17)25(19)14-23-9-11-28-12-10-23/h1-8H,9-14H2
InChIKeyGXWOBEQLWGAAFU-UHFFFAOYSA-N
XLogP2.12
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione (CID 3087637) is 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2n1CN1CCOCC1.
What is the InChIKey of 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is GXWOBEQLWGAAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20-15-5-1-2-6-16(15)21(27)24(20)13-19-22-17-7-3-4-8-18(17)25(19)14-23-9-11-28-12-10-23/h1-8H,9-14H2.
What are the key properties of 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione?
2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 376.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 3087637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).